#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myh s LEU 2 N 0.00 2.04 1.14 0.99 1.02 -1.26 -5.07 118.68 117.54 1myh s LEU 2 Ca 0.00 -0.47 -0.13 0.00 0.02 0.00 0.00 54.13 53.55 1myh s LEU 2 Cb 0.00 -1.29 0.27 0.00 0.02 0.00 0.00 46.19 45.19 1myh s LEU 2 CO 0.00 0.25 1.04 -0.94 0.02 0.00 0.00 176.35 176.72 1myh s SER 3 N -0.27 1.29 0.48 2.29 1.04 -1.26 -4.78 113.70 112.49 1myh s SER 3 Ca 0.00 1.32 0.14 0.00 0.48 0.00 0.00 55.95 57.90 1myh s SER 3 Cb -0.12 -2.05 1.12 0.00 0.10 0.00 0.00 66.02 65.06 1myh s SER 3 CO 0.02 -3.98 2.08 0.44 0.98 0.00 0.00 173.24 172.78 1myh h ASP 4 N -2.47 0.06 -0.06 7.02 3.32 -2.00 -1.46 116.42 120.84 1myh h ASP 4 Ca -0.59 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.39 1myh h ASP 4 Cb 1.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1myh h ASP 4 CO 0.52 0.11 -0.20 1.23 -1.72 0.00 0.00 179.24 179.18 1myh h GLY 5 N 0.26 0.26 0.59 2.75 0.00 -2.00 -2.64 103.07 102.29 1myh h GLY 5 Ca 0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1myh h GLY 5 CO 0.01 0.31 -0.37 0.83 0.00 0.00 0.00 176.54 177.31 1myh h GLU 6 N -0.29 -0.73 -0.59 4.80 5.08 -1.90 -1.56 114.58 119.39 1myh h GLU 6 Ca -0.01 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1myh h GLU 6 Cb 0.84 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.18 1myh h GLU 6 CO 0.04 -0.49 0.17 -1.49 -1.00 0.00 0.00 179.01 176.24 1myh h TRP 7 N -0.76 0.28 -0.38 4.33 4.06 -1.28 -2.03 115.95 120.17 1myh h TRP 7 Ca -0.02 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.86 1myh h TRP 7 Cb 0.69 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.80 1myh h TRP 7 CO -0.22 0.03 -0.16 0.37 -3.56 0.00 0.00 178.44 174.90 1myh h GLN 8 N 0.32 0.70 -0.29 0.49 -0.00 -1.13 -0.88 115.11 114.32 1myh h GLN 8 Ca 0.30 -0.25 0.04 0.00 -0.00 0.00 0.00 58.65 58.75 1myh h GLN 8 Cb 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 27.80 1myh h GLN 8 CO -0.35 0.82 0.04 -0.07 0.00 0.00 0.00 178.83 179.28 1myh h LEU 9 N 0.63 -0.02 0.03 -2.39 3.38 -0.89 0.22 115.31 116.27 1myh h LEU 9 Ca 0.10 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1myh h LEU 9 Cb 0.62 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1myh h LEU 9 CO 0.04 0.03 -0.20 0.58 0.09 0.00 0.00 178.44 178.98 1myh h VAL 10 N 0.15 0.53 0.00 1.22 2.07 -1.14 -1.48 116.25 117.60 1myh h VAL 10 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1myh h VAL 10 Cb 0.15 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1myh h VAL 10 CO -0.19 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 177.17 1myh h LEU 11 N -0.34 0.00 0.01 2.57 3.38 -0.94 -1.40 115.31 118.60 1myh h LEU 11 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1myh h LEU 11 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1myh h LEU 11 CO -0.17 0.16 -0.00 0.78 0.09 0.00 0.00 178.44 179.30 1myh h ASN 12 N 0.00 -0.01 -0.24 -0.43 2.35 0.49 -3.01 115.58 114.72 1myh h ASN 12 Ca -0.00 -0.72 0.06 0.00 -0.55 0.00 0.00 56.30 55.09 1myh h ASN 12 Cb 0.63 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.94 1myh h ASN 12 CO 0.02 0.73 -0.16 0.58 -1.65 0.00 0.00 177.43 176.95 1myh h VAL 13 N -0.76 0.55 -0.36 2.81 2.07 -1.32 -1.76 116.25 117.48 1myh h VAL 13 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1myh h VAL 13 Cb 0.73 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1myh h VAL 13 CO 0.00 0.00 0.35 -0.25 0.02 0.00 0.00 177.57 177.69 1myh h TRP 14 N -0.14 0.00 -0.24 1.57 2.91 -1.33 0.28 115.95 119.00 1myh h TRP 14 Ca 0.13 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.12 1myh h TRP 14 Cb 0.34 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1myh h TRP 14 CO -0.33 0.00 -0.03 0.78 -1.03 0.00 0.00 178.44 177.84 1myh h GLY 15 N 0.00 0.39 0.77 2.65 0.00 -1.17 0.13 103.07 105.84 1myh h GLY 15 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1myh h GLY 15 CO -0.00 0.20 0.01 0.50 0.00 0.00 0.00 176.54 177.25 1myh h LYS 16 N 0.35 0.18 -0.28 4.80 1.79 -1.02 -2.86 116.57 119.53 1myh h LYS 16 Ca 0.08 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1myh h LYS 16 Cb 0.28 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1myh h LYS 16 CO 0.01 0.41 0.18 0.28 -1.08 0.00 0.00 179.45 179.25 1myh h VAL 17 N -0.08 1.06 0.00 0.50 2.07 -1.31 -1.70 116.25 116.79 1myh h VAL 17 Ca 0.03 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1myh h VAL 17 Cb 0.33 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1myh h VAL 17 CO 0.00 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.04 1myh n GLU 18 N -4.90 0.15 0.16 1.57 1.02 0.43 -1.74 120.64 117.33 1myh n GLU 18 Ca -0.02 0.53 0.12 0.00 -0.02 0.00 0.00 57.16 57.78 1myh n GLU 18 Cb 0.03 -1.88 0.24 0.00 -0.02 0.00 0.00 31.44 29.81 1myh n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1myh h ALA 19 N 2.13 0.94 -1.22 0.62 0.00 -1.15 -3.39 119.26 117.19 1myh h ALA 19 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1myh h ALA 19 Cb 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.68 1myh h ALA 19 CO 0.00 0.00 -0.81 -3.47 0.00 0.00 0.00 179.25 174.97 1myh n ASP 20 N -2.72 -1.37 0.15 0.00 2.03 -0.71 -5.03 116.55 108.90 1myh n ASP 20 Ca 0.04 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.32 1myh n ASP 20 Cb 0.49 0.50 -0.08 0.00 -0.72 0.00 0.00 41.12 41.31 1myh n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myh h VAL 21 N 2.94 0.65 -0.71 5.18 2.07 -1.73 -1.66 116.25 123.00 1myh h VAL 21 Ca 0.01 -0.68 0.14 0.00 0.82 0.00 0.00 66.70 66.99 1myh h VAL 21 Cb 0.96 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1myh h VAL 21 CO 0.36 0.12 0.47 0.00 0.02 0.00 0.00 177.57 178.55 1myh h ALA 22 N -0.33 2.12 -0.16 1.67 0.00 -1.89 -0.37 119.26 120.30 1myh h ALA 22 Ca -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1myh h ALA 22 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1myh h ALA 22 CO 0.07 -0.31 -0.21 0.78 0.00 0.00 0.00 179.25 179.58 1myh h GLY 23 N 0.38 0.47 0.92 0.00 0.00 -1.90 0.26 103.07 103.21 1myh h GLY 23 Ca 0.34 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1myh h GLY 23 CO -0.10 0.46 0.03 0.45 0.00 0.00 0.00 176.54 177.38 1myh h HIS 24 N 0.06 0.68 -0.30 5.60 3.86 -0.85 -2.36 115.15 121.84 1myh h HIS 24 Ca 0.02 -0.11 0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1myh h HIS 24 Cb 0.78 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 29.00 1myh h HIS 24 CO 0.09 0.70 -0.15 0.78 0.86 0.00 0.00 177.93 180.21 1myh h GLY 25 N 0.46 0.09 0.97 2.45 0.00 -1.08 0.38 103.07 106.33 1myh h GLY 25 Ca 0.11 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1myh h GLY 25 CO 0.01 -0.16 0.10 -1.61 0.00 0.00 0.00 176.54 174.88 1myh h GLN 26 N -0.11 0.76 -0.17 4.80 4.15 -0.92 -1.42 115.11 122.21 1myh h GLN 26 Ca 0.16 -0.19 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1myh h GLN 26 Cb 0.34 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1myh h GLN 26 CO -0.37 0.75 -0.23 0.93 -1.93 0.00 0.00 178.83 177.98 1myh h GLU 27 N 0.63 0.30 -0.45 1.69 5.08 -0.77 -1.99 114.58 119.06 1myh h GLU 27 Ca 0.14 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1myh h GLU 27 Cb 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1myh h GLU 27 CO 0.00 0.52 -0.21 -0.39 -1.00 0.00 0.00 179.01 177.93 1myh h VAL 28 N 0.27 1.27 -0.19 3.13 -1.51 -0.76 0.26 116.25 118.72 1myh h VAL 28 Ca 0.04 -1.35 -0.01 0.00 -1.23 0.00 0.00 66.70 64.15 1myh h VAL 28 Cb 0.56 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1myh h VAL 28 CO 0.04 0.46 0.08 -0.07 -1.23 0.00 0.00 177.57 176.85 1myh h LEU 29 N 0.78 0.26 -0.96 4.19 3.38 -0.78 -1.64 115.31 120.54 1myh h LEU 29 Ca 0.11 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1myh h LEU 29 Cb 0.76 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1myh h LEU 29 CO 0.06 0.33 0.61 0.40 0.09 0.00 0.00 178.44 179.94 1myh h ILE 30 N 0.16 1.04 -0.50 1.22 2.04 -1.33 0.17 117.51 120.31 1myh h ILE 30 Ca 0.06 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.65 1myh h ILE 30 Cb 0.15 -0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.01 1myh h ILE 30 CO -0.01 0.20 0.03 0.03 0.00 0.00 0.00 178.15 178.40 1myh h ARG 31 N 1.08 0.14 0.36 2.37 2.47 0.17 -0.59 114.38 120.38 1myh h ARG 31 Ca 0.43 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 59.12 1myh h ARG 31 Cb 0.23 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1myh h ARG 31 CO -0.19 0.09 -0.17 1.25 0.56 0.00 0.00 179.97 181.51 1myh h LEU 32 N 0.15 -0.41 -0.96 3.04 5.85 -0.56 -0.50 115.31 121.92 1myh h LEU 32 Ca 0.26 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1myh h LEU 32 Cb 0.38 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1myh h LEU 32 CO -0.40 -0.26 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.00 1myh h PHE 33 N -0.53 0.61 0.00 1.25 0.04 -0.44 -0.20 116.94 117.67 1myh h PHE 33 Ca -0.05 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1myh h PHE 33 Cb 0.40 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1myh h PHE 33 CO -0.04 0.70 -0.61 0.87 -0.60 0.00 0.00 178.31 178.63 1myh h LYS 34 N 0.50 0.00 0.04 1.51 1.79 -1.09 -2.77 116.57 116.55 1myh h LYS 34 Ca 0.08 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.26 1myh h LYS 34 Cb 0.60 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 1myh h LYS 34 CO 0.04 0.00 -1.59 0.78 -1.08 0.00 0.00 179.45 177.60 1myh h GLY 35 N 4.32 0.09 -5.56 3.86 0.00 -0.53 -3.41 103.07 101.85 1myh h GLY 35 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 47.33 46.73 1myh h GLY 35 CO 0.00 0.21 -0.73 1.42 0.00 0.00 0.00 176.54 177.44 1myh n HIS 36 N -3.23 -2.34 -0.32 5.60 8.25 -0.14 -5.04 115.22 118.01 1myh n HIS 36 Ca -0.16 -2.36 0.33 0.00 -0.26 0.00 0.00 57.72 55.27 1myh n HIS 36 Cb 1.03 0.85 0.71 0.00 1.12 0.00 0.00 29.99 33.70 1myh n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myh h PRO 37 N 4.82 0.06 -0.56 -0.41 0.11 -1.67 -2.04 132.00 132.31 1myh h PRO 37 Ca 0.08 -0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.35 1myh h PRO 37 Cb 1.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1myh h PRO 37 CO 0.25 0.04 0.42 1.05 -0.21 0.00 0.00 178.00 179.55 1myh h GLU 38 N 0.06 0.00 0.00 1.05 4.11 -1.93 -0.54 114.58 117.33 1myh h GLU 38 Ca 0.57 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.92 1myh h GLU 38 Cb 2.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.37 1myh h GLU 38 CO -0.06 0.00 -0.38 1.79 0.07 0.00 0.00 179.01 180.44 1myh h THR 39 N 0.00 1.17 -0.69 -1.06 1.35 -1.72 -2.99 112.91 108.97 1myh h THR 39 Ca 0.27 -1.33 -0.05 0.00 -0.55 0.00 0.00 66.41 64.74 1myh h THR 39 Cb 1.10 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.23 1myh h THR 39 CO -0.00 0.37 0.23 0.25 -0.25 0.00 0.00 175.52 176.12 1myh h LEU 40 N 0.00 1.00 -1.40 3.87 5.85 -1.26 -2.34 115.31 121.03 1myh h LEU 40 Ca -0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1myh h LEU 40 Cb 0.71 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1myh h LEU 40 CO 0.05 0.93 0.00 -0.33 -0.34 0.00 0.00 178.44 178.75 1myh h GLU 41 N 1.01 0.00 0.00 1.25 4.39 -1.61 0.61 114.58 120.22 1myh h GLU 41 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1myh h GLU 41 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1myh h GLU 41 CO -0.01 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.47 1myh n LYS 42 N -2.34 0.19 -3.87 2.33 4.76 -0.88 -4.58 118.16 113.77 1myh n LYS 42 Ca -0.01 0.01 -0.35 0.00 -2.87 0.00 0.00 58.31 55.10 1myh n LYS 42 Cb 0.09 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.65 1myh n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1myh s PHE 43 N -2.80 3.54 0.28 2.13 0.40 0.21 -4.95 117.98 116.79 1myh s PHE 43 Ca 0.20 -2.41 0.02 0.00 -0.60 0.00 0.00 56.93 54.13 1myh s PHE 43 Cb 0.19 -2.84 0.62 0.00 0.51 0.00 0.00 43.02 41.50 1myh s PHE 43 CO 0.48 -0.92 1.75 -0.44 0.70 0.00 0.00 175.22 176.79 1myh h ASP 44 N 7.93 0.53 0.15 1.36 3.32 -1.82 0.31 116.42 128.19 1myh h ASP 44 Ca -0.13 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1myh h ASP 44 Cb 1.04 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1myh h ASP 44 CO 0.61 0.17 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.16 1myh h ARG 45 N 0.59 0.00 0.00 3.56 2.43 -1.94 -3.22 114.38 115.81 1myh h ARG 45 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1myh h ARG 45 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1myh h ARG 45 CO -0.41 0.05 0.00 1.19 -1.51 0.00 0.00 179.97 179.29 1myh n PHE 46 N -3.74 0.00 0.31 2.20 3.72 0.91 -4.78 117.46 116.09 1myh n PHE 46 Ca -0.02 -0.10 0.20 0.00 -0.05 0.00 0.00 57.45 57.48 1myh n PHE 46 Cb 0.15 -0.01 0.98 0.00 -0.94 0.00 0.00 39.48 39.66 1myh n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1myh h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -1.09 -0.80 116.57 115.70 1myh h LYS 47 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1myh h LYS 47 Cb 0.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1myh h LYS 47 CO 0.00 0.00 -0.09 1.12 -2.00 0.00 0.00 179.45 178.48 1myh h HIS 48 N 0.00 0.00 -3.22 0.07 2.07 -1.86 -3.42 115.15 108.78 1myh h HIS 48 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 1myh h HIS 48 Cb 0.22 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.14 1myh h HIS 48 CO 0.00 0.09 0.90 -0.51 -3.07 0.00 0.00 177.93 175.34 1myh s LEU 49 N -6.94 3.92 0.00 6.12 1.43 -0.31 -4.88 118.68 118.02 1myh s LEU 49 Ca -0.02 1.14 0.20 0.00 -1.03 0.00 0.00 54.13 54.42 1myh s LEU 49 Cb 0.12 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1myh s LEU 49 CO 0.56 -0.97 0.99 0.29 0.23 0.00 0.00 176.35 177.45 1myh n LYS 50 N 7.07 1.31 -3.93 1.70 5.02 -1.26 -4.97 118.16 123.09 1myh n LYS 50 Ca 0.13 -0.85 -0.09 0.00 -2.02 0.00 0.00 58.31 55.49 1myh n LYS 50 Cb 0.47 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.02 1myh n LYS 50 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1myh s SER 51 N -2.33 -0.15 0.21 4.39 1.04 -1.26 -5.01 113.70 110.59 1myh s SER 51 Ca 0.16 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.70 1myh s SER 51 Cb 0.16 0.61 0.29 0.00 0.10 0.00 0.00 66.02 67.19 1myh s SER 51 CO 0.54 -1.17 1.74 -0.08 0.98 0.00 0.00 173.24 175.25 1myh h GLU 52 N 2.20 0.38 -0.39 4.02 4.81 -1.97 0.61 114.58 124.24 1myh h GLU 52 Ca -0.25 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1myh h GLU 52 Cb 1.25 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1myh h GLU 52 CO 0.33 0.25 0.18 -0.44 -0.73 0.00 0.00 179.01 178.60 1myh h ASP 53 N 0.39 0.24 -0.77 1.04 3.32 -1.98 4.09 116.42 122.75 1myh h ASP 53 Ca 0.32 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 1myh h ASP 53 Cb 0.41 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1myh h ASP 53 CO -0.33 0.18 0.30 -0.33 -1.72 0.00 0.00 179.24 177.34 1myh h GLU 54 N 0.36 1.16 -0.09 3.56 5.08 -1.73 -0.63 114.58 122.29 1myh h GLU 54 Ca 0.17 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1myh h GLU 54 Cb 0.10 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1myh h GLU 54 CO -0.14 0.95 0.03 0.52 -1.00 0.00 0.00 179.01 179.37 1myh h MET 55 N 1.12 0.13 0.00 2.33 2.86 0.19 -2.48 114.93 119.09 1myh h MET 55 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1myh h MET 55 Cb 0.23 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1myh h MET 55 CO -0.02 0.27 -0.03 -0.22 1.06 0.00 0.00 176.91 177.97 1myh h LYS 56 N -0.03 0.00 0.00 1.72 3.64 0.81 -2.78 116.57 119.92 1myh h LYS 56 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1myh h LYS 56 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1myh h LYS 56 CO -0.00 0.03 -0.17 0.00 -2.27 0.00 0.00 179.45 177.04 1myh h ALA 57 N 1.97 0.91 -1.74 5.00 0.00 -0.67 -3.45 119.26 121.27 1myh h ALA 57 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1myh h ALA 57 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1myh h ALA 57 CO 0.00 0.00 1.54 0.45 0.00 0.00 0.00 179.25 181.25 1myh s SER 58 N -5.98 4.93 0.17 0.00 0.15 -1.03 -4.89 113.70 107.06 1myh s SER 58 Ca 0.06 1.30 -0.10 0.00 0.70 0.00 0.00 55.95 57.91 1myh s SER 58 Cb 0.06 -2.51 0.06 0.00 -1.71 0.00 0.00 66.02 61.93 1myh s SER 58 CO 0.69 -2.46 1.65 -0.33 1.20 0.00 0.00 173.24 173.99 1myh h GLU 59 N 17.29 1.01 -0.11 5.44 5.08 -1.89 -3.03 114.58 138.38 1myh h GLU 59 Ca -0.30 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 57.66 1myh h GLU 59 Cb 1.24 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1myh h GLU 59 CO 1.09 0.97 -0.39 -0.44 -1.00 0.00 0.00 179.01 179.23 1myh h ASP 60 N 0.91 0.24 -0.73 1.42 5.19 -1.98 -1.78 116.42 119.69 1myh h ASP 60 Ca 0.18 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1myh h ASP 60 Cb 0.47 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1myh h ASP 60 CO 0.02 0.61 0.42 0.25 -3.12 0.00 0.00 179.24 177.42 1myh h LEU 61 N 0.19 0.89 -0.51 1.55 5.85 -1.90 -2.52 115.31 118.86 1myh h LEU 61 Ca 0.02 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1myh h LEU 61 Cb 0.78 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1myh h LEU 61 CO 0.06 0.71 0.07 0.50 -0.34 0.00 0.00 178.44 179.43 1myh h LYS 62 N 1.00 0.86 -0.51 1.25 3.64 -1.37 -0.57 116.57 120.88 1myh h LYS 62 Ca 0.26 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 1myh h LYS 62 Cb -0.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1myh h LYS 62 CO -0.05 0.86 -0.12 0.87 -2.27 0.00 0.00 179.45 178.74 1myh h LYS 63 N 0.74 0.95 -0.45 1.90 1.57 -1.16 -2.30 116.57 117.82 1myh h LYS 63 Ca 0.15 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1myh h LYS 63 Cb 0.43 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1myh h LYS 63 CO 0.01 1.01 -0.01 1.25 -0.57 0.00 0.00 179.45 181.14 1myh h HIS 64 N 0.85 0.88 -0.64 -1.35 2.76 -1.22 -2.22 115.15 114.20 1myh h HIS 64 Ca 0.13 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1myh h HIS 64 Cb 0.66 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.36 1myh h HIS 64 CO 0.04 0.86 0.42 0.78 -1.30 0.00 0.00 177.93 178.73 1myh h GLY 65 N 0.64 0.90 1.00 5.26 0.00 -0.98 -1.22 103.07 108.67 1myh h GLY 65 Ca 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1myh h GLY 65 CO 0.03 0.32 0.22 -0.57 0.00 0.00 0.00 176.54 176.54 1myh h ASN 66 N 0.85 0.84 0.07 0.19 -0.73 -1.04 -2.43 115.58 113.32 1myh h ASN 66 Ca 0.24 -0.18 0.01 0.00 1.87 0.00 0.00 56.30 58.24 1myh h ASN 66 Cb -0.09 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 1myh h ASN 66 CO -0.06 0.79 -0.12 0.74 -0.37 0.00 0.00 177.43 178.41 1myh h THR 67 N 0.83 0.72 0.29 -3.57 2.02 -0.80 0.10 112.91 112.51 1myh h THR 67 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1myh h THR 67 Cb 0.23 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1myh h THR 67 CO -0.01 0.00 -0.30 0.58 0.37 0.00 0.00 175.52 176.16 1myh h VAL 68 N -0.24 0.37 0.00 3.16 2.07 -1.10 -3.08 116.25 117.43 1myh h VAL 68 Ca 0.02 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 1myh h VAL 68 Cb 0.26 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1myh h VAL 68 CO -0.07 0.00 -0.73 -0.07 0.02 0.00 0.00 177.57 176.72 1myh h LEU 69 N -0.63 0.00 -0.53 2.57 3.38 -1.24 -0.78 115.31 118.08 1myh h LEU 69 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1myh h LEU 69 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1myh h LEU 69 CO -0.06 0.73 0.32 0.74 0.09 0.00 0.00 178.44 180.26 1myh h THR 70 N 0.00 1.16 -0.14 0.22 2.02 -0.79 -1.62 112.91 113.76 1myh h THR 70 Ca -0.01 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1myh h THR 70 Cb 1.42 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1myh h THR 70 CO 0.09 0.16 -0.09 0.00 0.37 0.00 0.00 175.52 176.06 1myh h ALA 71 N 1.16 0.20 -0.11 6.16 0.00 -1.54 -2.36 119.26 122.77 1myh h ALA 71 Ca 0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1myh h ALA 71 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1myh h ALA 71 CO -0.04 0.02 -0.24 1.25 0.00 0.00 0.00 179.25 180.24 1myh h LEU 72 N -0.05 0.18 -0.60 0.00 5.85 -0.98 -3.03 115.31 116.69 1myh h LEU 72 Ca 0.03 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 1myh h LEU 72 Cb 0.58 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1myh h LEU 72 CO 0.02 0.43 -0.69 1.23 -0.34 0.00 0.00 178.44 179.10 1myh h GLY 73 N 0.91 0.00 2.00 3.75 0.00 -1.28 -0.51 103.07 107.93 1myh h GLY 73 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 1myh h GLY 73 CO 0.04 0.00 -0.42 -1.33 0.00 0.00 0.00 176.54 174.83 1myh h GLY 74 N 2.12 0.00 0.39 4.60 0.00 -1.30 -2.44 103.07 106.44 1myh h GLY 74 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1myh h GLY 74 CO 0.09 0.00 -0.07 -2.22 0.00 0.00 0.00 176.54 174.34 1myh h ILE 75 N 0.00 0.93 -0.91 2.60 2.04 -1.44 -3.31 117.51 117.43 1myh h ILE 75 Ca -0.00 -1.14 0.12 0.00 1.00 0.00 0.00 64.86 64.84 1myh h ILE 75 Cb 0.95 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 38.50 1myh h ILE 75 CO 0.05 0.23 0.54 -0.07 0.00 0.00 0.00 178.15 178.90 1myh h LEU 76 N -0.81 0.76 -2.04 1.44 3.38 -1.08 -2.20 115.31 114.75 1myh h LEU 76 Ca -0.02 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1myh h LEU 76 Cb 0.54 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1myh h LEU 76 CO 0.03 0.40 0.33 0.11 0.09 0.00 0.00 178.44 179.40 1myh h LYS 77 N 0.85 0.00 0.00 1.13 6.56 -1.52 -1.75 116.57 121.84 1myh h LYS 77 Ca 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 1myh h LYS 77 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1myh h LYS 77 CO -0.28 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 178.74 1myh n LYS 78 N -4.19 0.21 -3.99 3.15 4.76 -0.83 -4.96 118.16 112.31 1myh n LYS 78 Ca 0.07 0.20 -0.42 0.00 -2.87 0.00 0.00 58.31 55.29 1myh n LYS 78 Cb 0.52 -1.75 0.02 0.00 -1.84 0.00 0.00 35.03 31.98 1myh n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myh n LYS 79 N -2.12 -0.57 -0.38 1.97 5.02 -0.66 -1.83 118.16 119.60 1myh n LYS 79 Ca 0.05 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1myh n LYS 79 Cb 0.39 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 1myh n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myh n GLY 80 N -2.02 1.63 2.75 0.72 0.00 -1.26 -4.96 105.19 102.06 1myh n GLY 80 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1myh n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myh n HIS 81 N -2.00 3.24 -0.42 1.61 8.25 -0.76 -4.74 115.22 120.40 1myh n HIS 81 Ca 0.00 -3.00 0.07 0.00 -0.26 0.00 0.00 57.72 54.53 1myh n HIS 81 Cb 0.00 -0.89 0.20 0.00 1.12 0.00 0.00 29.99 30.42 1myh n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myh n HIS 82 N -0.22 0.69 -0.05 4.41 1.44 -1.26 -4.80 115.22 115.43 1myh n HIS 82 Ca 0.43 -0.60 -0.13 0.00 -2.01 0.00 0.00 57.72 55.41 1myh n HIS 82 Cb 0.33 -0.11 -0.07 0.00 0.12 0.00 0.00 29.99 30.25 1myh n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1myh h GLU 83 N 2.24 -0.46 0.00 -1.40 3.07 -1.98 0.33 114.58 116.39 1myh h GLU 83 Ca 0.00 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 1myh h GLU 83 Cb 0.98 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 1myh h GLU 83 CO 0.07 -0.31 -0.20 0.00 -1.40 0.00 0.00 179.01 177.17 1myh h ALA 84 N 0.03 1.56 0.21 3.43 0.00 -2.02 -2.51 119.26 119.96 1myh h ALA 84 Ca 0.08 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 1myh h ALA 84 Cb 0.63 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.42 1myh h ALA 84 CO -0.48 0.25 -1.40 0.93 0.00 0.00 0.00 179.25 178.56 1myh h GLU 85 N 0.00 0.53 0.00 0.00 3.07 -1.78 -3.37 114.58 113.03 1myh h GLU 85 Ca -0.00 -0.85 -0.11 0.00 -0.50 0.00 0.00 59.36 57.90 1myh h GLU 85 Cb 0.38 0.31 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 1myh h GLU 85 CO 0.03 1.40 -0.53 1.25 -1.40 0.00 0.00 179.01 179.76 1myh h LEU 86 N 0.17 0.00 0.34 1.33 6.46 -0.71 -3.39 115.31 119.52 1myh h LEU 86 Ca -0.23 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1myh h LEU 86 Cb 2.08 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 42.00 1myh h LEU 86 CO 0.26 0.53 -0.28 0.74 -0.62 0.00 0.00 178.44 179.06 1myh h THR 87 N 0.00 0.41 -0.65 1.05 2.02 -1.62 -0.59 112.91 113.53 1myh h THR 87 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1myh h THR 87 Cb 1.12 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1myh h THR 87 CO 0.07 0.00 0.43 1.55 0.37 0.00 0.00 175.52 177.94 1myh h PRO 88 N -0.64 0.49 -0.16 6.66 0.13 -1.82 0.81 132.00 137.47 1myh h PRO 88 Ca -0.02 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1myh h PRO 88 Cb 0.56 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1myh h PRO 88 CO -0.02 0.33 0.03 1.25 -0.23 0.00 0.00 178.00 179.35 1myh h LEU 89 N 0.51 0.26 -1.05 1.56 5.85 -1.70 0.14 115.31 120.87 1myh h LEU 89 Ca 0.30 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1myh h LEU 89 Cb 0.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1myh h LEU 89 CO -0.09 0.46 -0.34 0.00 -0.34 0.00 0.00 178.44 178.13 1myh h ALA 90 N 0.81 1.20 0.33 1.25 0.00 0.32 -0.42 119.26 122.75 1myh h ALA 90 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1myh h ALA 90 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1myh h ALA 90 CO 0.00 0.53 -0.16 1.96 0.00 0.00 0.00 179.25 181.59 1myh h GLN 91 N 0.22 -0.43 -0.55 0.00 4.20 0.82 -2.08 115.11 117.29 1myh h GLN 91 Ca 0.03 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1myh h GLN 91 Cb 0.70 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1myh h GLN 91 CO 0.05 -0.17 0.10 0.66 -0.67 0.00 0.00 178.83 178.80 1myh h SER 92 N -0.63 0.86 0.34 1.46 4.64 -0.54 0.92 113.55 120.61 1myh h SER 92 Ca -0.05 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 60.91 1myh h SER 92 Cb 0.45 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1myh h SER 92 CO 0.07 0.90 -0.47 0.45 -0.87 0.00 0.00 176.83 176.92 1myh h HIS 93 N 0.79 0.18 0.00 4.77 3.86 -1.13 0.29 115.15 123.92 1myh h HIS 93 Ca 0.17 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1myh h HIS 93 Cb 0.39 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1myh h HIS 93 CO 0.03 0.59 -0.28 0.00 0.86 0.00 0.00 177.93 179.13 1myh h ALA 94 N 1.40 0.05 0.00 2.45 0.00 -1.31 1.61 119.26 123.45 1myh h ALA 94 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1myh h ALA 94 Cb 0.87 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1myh h ALA 94 CO 0.07 0.18 -1.05 0.25 0.00 0.00 0.00 179.25 178.70 1myh n THR 95 N -4.62 0.26 -0.03 0.00 -2.24 0.32 -3.87 114.28 104.10 1myh n THR 95 Ca -0.12 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.31 1myh n THR 95 Cb 0.39 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1myh n THR 95 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1myh n LYS 96 N -2.12 0.13 0.03 -0.78 4.81 0.80 -4.78 118.16 116.24 1myh n LYS 96 Ca 0.01 0.03 0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1myh n LYS 96 Cb 0.47 -1.07 -0.02 0.00 0.02 0.00 0.00 35.03 34.42 1myh n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1myh n HIS 97 N -2.70 0.34 -3.33 5.64 8.25 0.10 -4.99 115.22 118.52 1myh n HIS 97 Ca -0.09 0.10 -0.18 0.00 -0.26 0.00 0.00 57.72 57.29 1myh n HIS 97 Cb 0.59 -0.53 0.07 0.00 1.12 0.00 0.00 29.99 31.24 1myh n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1myh n LYS 98 N -2.14 -2.28 -3.35 -0.41 5.02 -0.70 -4.97 118.16 109.32 1myh n LYS 98 Ca 0.00 0.80 -0.39 0.00 -2.02 0.00 0.00 58.31 56.70 1myh n LYS 98 Cb 0.48 -5.57 -0.09 0.00 -0.02 0.00 0.00 35.03 29.84 1myh n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1myh s ILE 99 N -3.40 5.15 0.62 -0.18 -1.09 0.54 -5.00 121.20 117.84 1myh s ILE 99 Ca 0.44 0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 59.28 1myh s ILE 99 Cb -0.07 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1myh s ILE 99 CO 0.76 0.12 1.27 -2.16 -1.23 0.00 0.00 174.94 173.70 1myh s PRO 100 N 2.13 2.72 0.25 2.79 0.04 -1.26 -4.78 135.00 136.89 1myh s PRO 100 Ca 0.16 2.00 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 1myh s PRO 100 Cb -0.16 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 32.75 1myh s PRO 100 CO 0.10 -1.45 1.93 -0.39 0.04 0.00 0.00 177.00 177.23 1myh h VAL 101 N 0.71 1.25 -0.67 -0.36 -1.51 -1.97 -0.54 116.25 113.15 1myh h VAL 101 Ca -0.51 -0.46 0.19 0.00 -1.23 0.00 0.00 66.70 64.70 1myh h VAL 101 Cb 1.32 -0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.24 1myh h VAL 101 CO 0.54 0.25 0.60 0.50 -1.23 0.00 0.00 177.57 178.22 1myh h LYS 102 N 1.34 0.00 0.00 5.19 3.11 -2.00 2.17 116.57 126.39 1myh h LYS 102 Ca 0.37 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.13 1myh h LYS 102 Cb -0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 1myh h LYS 102 CO -0.08 0.00 -0.36 1.88 -2.81 0.00 0.00 179.45 178.07 1myh h TYR 103 N 0.00 0.00 -0.04 1.91 -1.99 -1.44 -2.16 116.97 113.25 1myh h TYR 103 Ca 0.32 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.89 1myh h TYR 103 Cb 1.51 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.23 1myh h TYR 103 CO 0.00 0.36 -0.69 -0.07 -0.00 0.00 0.00 178.16 177.77 1myh h LEU 104 N 0.00 0.24 -0.53 3.88 3.38 0.35 -1.73 115.31 120.90 1myh h LEU 104 Ca -0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1myh h LEU 104 Cb 0.71 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1myh h LEU 104 CO 0.05 0.85 0.02 -0.08 0.09 0.00 0.00 178.44 179.36 1myh h GLU 105 N 0.14 0.93 -0.06 1.13 4.81 -0.79 -2.54 114.58 118.20 1myh h GLU 105 Ca -0.02 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1myh h GLU 105 Cb 1.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1myh h GLU 105 CO 0.10 0.94 -0.02 0.74 -0.73 0.00 0.00 179.01 180.04 1myh h PHE 106 N 0.80 -0.05 0.00 0.92 0.04 -1.04 -0.79 116.94 116.82 1myh h PHE 106 Ca 0.15 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 1myh h PHE 106 Cb 0.51 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1myh h PHE 106 CO 0.04 -0.04 -0.50 0.97 -0.60 0.00 0.00 178.31 178.18 1myh h ILE 107 N -0.01 1.19 0.38 -0.55 2.10 -1.26 -1.82 117.51 117.54 1myh h ILE 107 Ca 0.03 -1.81 -0.02 0.00 1.08 0.00 0.00 64.86 64.15 1myh h ILE 107 Cb 0.06 2.02 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1myh h ILE 107 CO -0.07 0.49 -0.18 0.28 -1.08 0.00 0.00 178.15 177.58 1myh h SER 108 N 0.00 -0.43 -0.11 2.19 0.02 -0.99 -0.93 113.55 113.30 1myh h SER 108 Ca -0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1myh h SER 108 Cb 0.98 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 1myh h SER 108 CO 0.06 -0.29 -0.05 1.05 -1.14 0.00 0.00 176.83 176.46 1myh h GLU 109 N -0.52 -0.04 -0.98 3.45 4.11 -1.05 -1.82 114.58 117.72 1myh h GLU 109 Ca -0.05 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.53 1myh h GLU 109 Cb 0.40 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 1myh h GLU 109 CO 0.09 -0.03 0.62 0.00 0.07 0.00 0.00 179.01 179.75 1myh h ALA 110 N 1.06 1.66 -0.45 1.06 0.00 -1.29 -0.52 119.26 120.79 1myh h ALA 110 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1myh h ALA 110 Cb 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1myh h ALA 110 CO -0.14 0.05 0.20 0.82 0.00 0.00 0.00 179.25 180.18 1myh h ILE 111 N 0.84 1.19 -0.42 0.00 2.04 -0.59 0.75 117.51 121.32 1myh h ILE 111 Ca 0.51 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1myh h ILE 111 Cb 0.70 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1myh h ILE 111 CO -0.29 0.22 0.07 0.40 0.00 0.00 0.00 178.15 178.55 1myh h ILE 112 N 0.58 1.24 -0.45 -0.67 2.04 -0.77 -2.05 117.51 117.44 1myh h ILE 112 Ca 0.15 -0.88 0.09 0.00 1.00 0.00 0.00 64.86 65.22 1myh h ILE 112 Cb 0.15 1.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 1myh h ILE 112 CO -0.02 0.30 -0.28 1.56 0.00 0.00 0.00 178.15 179.72 1myh h GLN 113 N 0.55 -0.18 -0.66 2.37 4.20 -1.00 -0.56 115.11 119.83 1myh h GLN 113 Ca 0.13 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1myh h GLN 113 Cb 0.37 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1myh h GLN 113 CO 0.01 -0.12 0.22 0.28 -0.67 0.00 0.00 178.83 178.54 1myh h VAL 114 N -0.19 1.24 -0.25 -0.54 2.07 -0.66 -1.96 116.25 115.97 1myh h VAL 114 Ca 0.20 -0.82 -0.16 0.00 0.82 0.00 0.00 66.70 66.73 1myh h VAL 114 Cb 0.51 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1myh h VAL 114 CO -0.56 0.32 -0.50 -0.07 0.02 0.00 0.00 177.57 176.78 1myh h LEU 115 N 0.97 0.76 0.10 2.57 3.38 -0.58 -1.74 115.31 120.77 1myh h LEU 115 Ca 0.22 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1myh h LEU 115 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1myh h LEU 115 CO -0.01 1.13 -0.05 -0.61 0.09 0.00 0.00 178.44 178.99 1myh h GLN 116 N 0.54 -0.13 0.58 1.13 5.75 -1.10 0.21 115.11 122.09 1myh h GLN 116 Ca 0.02 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1myh h GLN 116 Cb 1.06 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1myh h GLN 116 CO 0.10 0.07 -0.47 0.77 -2.65 0.00 0.00 178.83 176.66 1myh h SER 117 N -0.32 -1.24 1.58 -0.69 0.02 -1.34 -2.95 113.55 108.62 1myh h SER 117 Ca -0.01 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1myh h SER 117 Cb 0.26 0.39 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1myh h SER 117 CO 0.02 -0.66 -0.42 0.11 -1.14 0.00 0.00 176.83 174.74 1myh h LYS 118 N -1.02 0.00 -1.48 3.45 1.57 -1.39 -3.40 116.57 114.30 1myh h LYS 118 Ca -0.07 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.26 1myh h LYS 118 Cb 0.86 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.77 1myh h LYS 118 CO -0.00 0.34 -1.09 0.72 -0.57 0.00 0.00 179.45 178.85 1myh n HIS 119 N -3.16 1.40 -0.30 -1.35 8.25 0.06 -4.93 115.22 115.19 1myh n HIS 119 Ca 0.02 -3.25 0.11 0.00 -0.26 0.00 0.00 57.72 54.35 1myh n HIS 119 Cb 0.68 -0.36 0.35 0.00 1.12 0.00 0.00 29.99 31.77 1myh n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myh h PRO 120 N 2.94 0.74 -0.39 -0.41 0.13 -1.66 -1.83 132.00 131.52 1myh h PRO 120 Ca 0.03 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1myh h PRO 120 Cb 1.03 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1myh h PRO 120 CO 0.57 0.49 0.26 0.78 -0.23 0.00 0.00 178.00 179.86 1myh h GLY 121 N 0.76 0.55 -0.24 1.56 0.00 -1.91 -2.84 103.07 100.95 1myh h GLY 121 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1myh h GLY 121 CO -0.24 0.19 -0.07 1.22 0.00 0.00 0.00 176.54 177.64 1myh n ASP 122 N -4.82 1.34 -3.20 0.19 9.92 -0.94 -4.46 116.55 114.58 1myh n ASP 122 Ca 0.00 -1.31 -0.23 0.00 -0.53 0.00 0.00 54.79 52.73 1myh n ASP 122 Cb 0.03 0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.49 1myh n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1myh n PHE 123 N -0.08 0.73 -0.79 1.24 7.35 -0.73 -4.76 117.46 120.41 1myh n PHE 123 Ca 0.17 -3.76 0.00 0.00 -0.76 0.00 0.00 57.45 53.10 1myh n PHE 123 Cb 0.35 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.77 1myh n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myh n GLY 124 N 0.83 -0.85 0.36 7.13 0.00 -1.25 -4.57 105.19 106.84 1myh n GLY 124 Ca 0.24 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1myh n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myh h ALA 125 N -1.89 1.77 0.24 4.61 0.00 -1.99 0.22 119.26 122.24 1myh h ALA 125 Ca 0.00 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1myh h ALA 125 Cb 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 17.75 1myh h ALA 125 CO 0.00 -0.13 -1.47 -0.44 0.00 0.00 0.00 179.25 177.21 1myh h ASP 126 N 0.71 0.81 -0.17 0.00 3.32 -2.00 -2.75 116.42 116.34 1myh h ASP 126 Ca 0.56 -0.87 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1myh h ASP 126 Cb 0.94 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1myh h ASP 126 CO -0.33 1.69 -0.05 0.00 -1.72 0.00 0.00 179.24 178.82 1myh h ALA 127 N 0.19 0.23 -0.37 3.45 0.00 -1.84 -2.56 119.26 118.37 1myh h ALA 127 Ca -0.25 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1myh h ALA 127 Cb 2.16 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 1myh h ALA 127 CO 0.27 0.01 -0.45 1.96 0.00 0.00 0.00 179.25 181.04 1myh h GLN 128 N 0.03 -0.35 -0.22 0.00 4.20 -1.06 -0.71 115.11 117.01 1myh h GLN 128 Ca 0.04 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.83 1myh h GLN 128 Cb 0.49 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 1myh h GLN 128 CO 0.02 -0.23 -0.21 0.78 -0.67 0.00 0.00 178.83 178.52 1myh h GLY 129 N -0.36 -0.11 0.51 3.46 0.00 -1.43 -1.63 103.07 103.51 1myh h GLY 129 Ca 0.12 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1myh h GLY 129 CO -0.56 -0.19 -0.51 0.00 0.00 0.00 0.00 176.54 175.29 1myh h ALA 130 N 0.85 -1.16 -0.80 3.60 0.00 -1.36 -2.69 119.26 117.71 1myh h ALA 130 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1myh h ALA 130 Cb 0.42 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1myh h ALA 130 CO -0.35 -1.19 0.52 1.98 0.00 0.00 0.00 179.25 180.22 1myh h MET 131 N -1.01 1.03 -0.54 0.00 -1.53 -1.10 0.05 114.93 111.83 1myh h MET 131 Ca -0.06 -0.06 -0.08 0.00 -3.44 0.00 0.00 59.70 56.05 1myh h MET 131 Cb 0.88 -0.23 -0.02 0.00 -0.55 0.00 0.00 31.60 31.67 1myh h MET 131 CO -0.06 0.68 0.01 1.03 0.14 0.00 0.00 176.91 178.71 1myh h SER 132 N 1.06 0.88 0.13 1.39 0.87 -1.27 -1.32 113.55 115.30 1myh h SER 132 Ca 0.30 -0.23 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 1myh h SER 132 Cb -0.10 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1myh h SER 132 CO -0.07 0.94 -0.80 0.11 -0.53 0.00 0.00 176.83 176.48 1myh h LYS 133 N 0.84 0.54 -0.74 2.24 1.57 -1.22 -0.20 116.57 119.60 1myh h LYS 133 Ca 0.16 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1myh h LYS 133 Cb 0.49 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1myh h LYS 133 CO 0.02 1.10 0.37 0.00 -0.57 0.00 0.00 179.45 180.37 1myh h ALA 134 N 0.76 1.26 -0.01 3.86 0.00 -0.47 -1.56 119.26 123.10 1myh h ALA 134 Ca -0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 1myh h ALA 134 Cb 1.40 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1myh h ALA 134 CO 0.15 0.58 -0.95 -0.07 0.00 0.00 0.00 179.25 178.96 1myh h LEU 135 N 1.04 0.62 -0.85 0.00 3.38 -1.09 -1.92 115.31 116.47 1myh h LEU 135 Ca 0.26 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1myh h LEU 135 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1myh h LEU 135 CO -0.04 1.28 -0.07 -0.33 0.09 0.00 0.00 178.44 179.38 1myh h GLU 136 N 0.27 0.78 -0.01 1.13 5.08 -0.96 0.19 114.58 121.06 1myh h GLU 136 Ca -0.09 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1myh h GLU 136 Cb 1.59 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 1myh h GLU 136 CO 0.17 0.83 -0.19 1.25 -1.00 0.00 0.00 179.01 180.08 1myh h LEU 137 N 0.71 -0.55 -0.43 1.33 5.85 -1.08 -0.29 115.31 120.85 1myh h LEU 137 Ca 0.13 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1myh h LEU 137 Cb 0.54 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1myh h LEU 137 CO 0.03 -0.25 0.08 0.15 -0.34 0.00 0.00 178.44 178.11 1myh h PHE 138 N -0.30 0.12 -0.59 1.25 3.57 -1.06 -1.76 116.94 118.18 1myh h PHE 138 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1myh h PHE 138 Cb 0.38 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1myh h PHE 138 CO -0.24 -0.00 0.36 0.00 -2.23 0.00 0.00 178.31 176.20 1myh h ARG 139 N 0.21 0.79 -0.24 1.11 3.08 0.22 -2.09 114.38 117.45 1myh h ARG 139 Ca 0.21 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1myh h ARG 139 Cb 0.26 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1myh h ARG 139 CO -0.28 0.55 0.08 -0.91 -1.07 0.00 0.00 179.97 178.34 1myh h ASN 140 N 0.79 0.08 -0.15 7.04 -0.26 -0.71 0.32 115.58 122.69 1myh h ASN 140 Ca 0.21 0.03 -0.11 0.00 -0.56 0.00 0.00 56.30 55.87 1myh h ASN 140 Cb -0.04 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1myh h ASN 140 CO -0.04 0.08 -0.25 0.44 -1.06 0.00 0.00 177.43 176.60 1myh h ASP 141 N 0.18 0.62 0.28 5.81 5.19 -1.30 -1.44 116.42 125.76 1myh h ASP 141 Ca 0.11 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1myh h ASP 141 Cb 0.08 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1myh h ASP 141 CO -0.11 0.85 -0.13 0.24 -3.12 0.00 0.00 179.24 176.96 1myh h MET 142 N 0.53 -0.36 -0.75 3.56 2.86 -0.92 -2.10 114.93 117.74 1myh h MET 142 Ca 0.07 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 1myh h MET 142 Cb 0.71 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.34 1myh h MET 142 CO 0.05 -0.05 -0.51 0.00 1.06 0.00 0.00 176.91 177.47 1myh h ALA 143 N -0.11 -0.43 0.00 6.32 0.00 -0.82 0.87 119.26 125.09 1myh h ALA 143 Ca -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1myh h ALA 143 Cb 0.48 1.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1myh h ALA 143 CO 0.06 -0.90 -0.09 0.00 0.00 0.00 0.00 179.25 178.33 1myh h ALA 144 N 0.55 1.43 -0.02 0.00 0.00 -1.27 -1.40 119.26 118.55 1myh h ALA 144 Ca 0.17 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1myh h ALA 144 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1myh h ALA 144 CO -0.80 0.11 -0.83 -0.22 0.00 0.00 0.00 179.25 177.51 1myh h LYS 145 N 0.00 0.25 0.01 0.00 1.63 -0.17 -2.90 116.57 115.39 1myh h LYS 145 Ca -0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1myh h LYS 145 Cb 0.22 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1myh h LYS 145 CO 0.01 0.95 -0.05 1.88 -3.45 0.00 0.00 179.45 178.79 1myh h TYR 146 N 0.15 -0.15 -0.89 1.91 -1.99 -0.11 -1.06 116.97 114.84 1myh h TYR 146 Ca -0.04 0.00 0.22 0.00 2.00 0.00 0.00 58.73 60.91 1myh h TYR 146 Cb 1.43 0.06 -0.16 0.00 2.00 0.00 0.00 36.73 40.06 1myh h TYR 146 CO 0.03 -0.06 -0.03 -0.22 -0.00 0.00 0.00 178.16 177.89 1myh h LYS 147 N -0.07 0.05 0.00 4.88 3.64 -1.07 0.20 116.57 124.19 1myh h LYS 147 Ca -0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1myh h LYS 147 Cb 0.07 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1myh h LYS 147 CO -0.03 0.03 -0.24 0.93 -2.27 0.00 0.00 179.45 177.87 1myh h GLU 148 N 0.05 0.00 -0.26 1.90 5.08 -1.32 -2.96 114.58 117.06 1myh h GLU 148 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1myh h GLU 148 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1myh h GLU 148 CO -0.83 0.24 0.00 -0.11 -1.00 0.00 0.00 179.01 177.30 1myh n LEU 149 N -3.59 1.60 -0.69 1.33 7.94 0.11 -4.85 117.00 118.86 1myh n LEU 149 Ca -0.01 -0.76 -0.09 0.00 -1.11 0.00 0.00 56.01 54.04 1myh n LEU 149 Cb 0.38 -0.17 -0.04 0.00 0.53 0.00 0.00 43.42 44.12 1myh n LEU 149 CO 0.33 0.38 -0.09 0.61 -1.11 0.00 0.00 177.39 177.52 1myh n GLY 150 N 1.03 1.00 3.86 -3.96 0.00 -1.11 -4.98 105.19 101.02 1myh n GLY 150 Ca 0.12 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1myh n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1myh s PHE 151 N -2.11 3.48 0.00 1.61 0.08 0.48 -4.84 117.98 116.68 1myh s PHE 151 Ca 0.00 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1myh s PHE 151 Cb 0.00 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.09 1myh s PHE 151 CO 0.00 0.29 0.00 0.94 -0.10 0.00 0.00 175.22 176.35 1myh n GLN 152 N 0.14 0.00 0.00 0.44 0.00 -1.26 -2.60 117.38 114.11 1myh n GLN 152 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 1myh n GLN 152 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 1myh n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47